# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20232612
_cell_length_b   5.51917126
_cell_length_c   46.98619465
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr26
_cell_volume   1349.09246602
_cell_formula_units_Z   26
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr1  1  0.251238  0.076419  0.290573  1
  Zr  Zr2  1  0.751238  0.434189  0.290573  1
  Zr  Zr3  1  0.251238  0.575629  0.324219  1
  Zr  Zr4  1  0.751238  0.934979  0.324219  1
  Zr  Zr5  1  0.251238  0.082801  0.358473  1
  Zr  Zr6  1  0.751238  0.427807  0.358473  1
  Zr  Zr7  1  0.251238  0.584656  0.393459  1
  Zr  Zr8  1  0.751238  0.925952  0.393459  1
  Zr  Zr9  1  0.251238  0.085155  0.427824  1
  Zr  Zr10  1  0.751238  0.425453  0.427824  1
  Zr  Zr11  1  0.251238  0.585403  0.462380  1
  Zr  Zr12  1  0.751238  0.925205  0.462380  1
  Zr  Zr13  1  0.251238  0.085470  0.496894  1
  Zr  Zr14  1  0.751238  0.425138  0.496894  1
  Zr  Zr15  1  0.251238  0.585403  0.531409  1
  Zr  Zr16  1  0.751238  0.925205  0.531409  1
  Zr  Zr17  1  0.251238  0.085155  0.565964  1
  Zr  Zr18  1  0.751238  0.425453  0.565964  1
  Zr  Zr19  1  0.251238  0.584656  0.600329  1
  Zr  Zr20  1  0.751238  0.925952  0.600329  1
  Zr  Zr21  1  0.251238  0.082801  0.635315  1
  Zr  Zr22  1  0.751238  0.427807  0.635315  1
  Zr  Zr23  1  0.251238  0.575629  0.669569  1
  Zr  Zr24  1  0.751238  0.934979  0.669569  1
  Zr  Zr25  1  0.251238  0.076419  0.703215  1
  Zr  Zr26  1  0.751238  0.434189  0.703215  1
